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Table 3 Unmixing of overlaps

From: Isotope pattern deconvolution for peptide mass spectrometry by non-negative least squares/least absolute deviation template matching

peptides

351.2(2)/352.2(2)

351.4(3)/352.2(2)

351.2(2)/351.4(3)

proportion

1:1

1:5

5:1

1:1

1:5

5:1

10:1

1:1

1:5

5:1

1:10

 

fmol

           
 

500

x

x

−

−

x

−

x

−

−

−

x

all

1000

x

x

x

x

x

x

x

x

x

−

−

 

500

−

x

−

−

x

−

−

−

−

−

−

default

1000

x

x

−

x

−

x

x

−

x

−

−

  1. Results of the analyses of the series of spectra containing two overlapping target peptides. The first column contains the m/zpositions and the charges (in brackets) of the two peptides. The two middle columns indicate whether the corresponding problem is successfully solved (‘x’) or not (‘−’) when optimizing over a grid of parameter combinations (column ‘all’) and when using the default parameter set (column ‘default’).